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	hartrees
Energy at 0K	-473.907369
Energy at 298.15K	-473.909668
HF Energy	-473.536866
Nuclear repulsion energy	56.113657

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3880	3880	77.83
2	A	2692	2692	9.85
3	A	1229	1229	42.80
4	A	1009	1009	2.51
5	A	768	768	45.96
6	A	451	451	76.89

Atom	x (Å)	y (Å)	z (Å)
S1	-0.593	-0.089	0.008
O2	1.110	0.023	-0.117
H3	-0.854	1.241	0.022
H4	1.451	0.007	0.783

	S1	O2	H3	H4
S1		1.7112	1.3563	2.1881
O2	1.7112		2.3159	0.9631
H3	1.3563	2.3159		2.7238
H4	2.1881	0.9631	2.7238

All results from a given calculation for HOSH (hydrogen thioperoxide)

using model chemistry: MP3/daug-cc-pVDZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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